English

Kanamori-Moir\'e-Hubbard model for transition metal dichalcogenide homobilayers

Strongly Correlated Electrons 2023-06-14 v1 Materials Science

Abstract

Ab-initio and continuum model studies predicted that the Γ\Gamma valley transition metal dichalcogenide (TMD) homobilayers could simulate the conventional multi-orbital Hubbard model on the moir\'e Honeycomb lattice. Here, we perform the Wannierization starting from the continuum model and show that a more general Kanamori-Moir\'e-Hubbard model emerges, beyond the extensively studied standard multi-orbital Hubbard model, which can be used to investigate the many-body physics in the Γ\Gamma valley TMD homobilayers. Using the unrestricted Hartree-Fock and Lanczos techniques, we study these half-filled multi-orbital moir\'e bands. By constructing the phase diagrams we predict the presence of an antiferromagnetic state and in addition we found unexepected and dominant states, such as a S = 1 ferromagnetic insulator and a charge density wave state. Our theoretical predictions made using this model can be tested in future experiments on the Γ\Gamma valley TMD homobilayers.

Keywords

Cite

@article{arxiv.2303.02305,
  title  = {Kanamori-Moir\'e-Hubbard model for transition metal dichalcogenide homobilayers},
  author = {Nitin Kaushal and Elbio Dagotto},
  journal= {arXiv preprint arXiv:2303.02305},
  year   = {2023}
}